[
  {
    "molid": "mol2742",
    "smiles": "Cc1cc(C)c(C2C(=O)CC(CC3CCOCC3)C2=O)c(C)c1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(C)c([C@@H]2C(=O)C[C@@H](CC3CCOCC3)C2=O)c(C)c1",
        "std_free_energy": -4.173709392547607,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1cc(C)c([C-]2C(=O)C[C@@H](CC3CCOCC3)C2=O)c(C)c1",
        "std_free_energy": -4.222975254058838,
        "relative_population": 0.8614932221596933
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "Cc1cc(C)c([C@@H]2C(=O)[CH-][C@@H](CC3CCOCC3)C2=O)c(C)c1",
        "std_free_energy": -2.180145025253296,
        "relative_population": 0.1117022623465721
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.29,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Caine"
      }
    ]
  }
]